4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile

C8H7F3N2O — CID 153146344

IUPAC4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile
SMILESN#CC1C=C(OCC(F)(F)F)C=CN1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-14-7-1-2-13-6(3-7)4-12/h1-3,6,13H,5H2
InChIKeyVZPPIWZOJNUVFV-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.46
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile

4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile (PubChem CID 153146344) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile
PubChem CID153146344
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile
SMILESN#CC1C=C(OCC(F)(F)F)C=CN1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)5-14-7-1-2-13-6(3-7)4-12/h1-3,6,13H,5H2
InChIKeyVZPPIWZOJNUVFV-UHFFFAOYSA-N
XLogP1.46
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile (CID 153146344) is 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile is N#CC1C=C(OCC(F)(F)F)C=CN1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile?
The InChIKey is VZPPIWZOJNUVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)5-14-7-1-2-13-6(3-7)4-12/h1-3,6,13H,5H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile?
4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile has a molecular weight of 204.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 153146344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).